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3AVK
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BU of 3avk by Molmil
Crystal structures of novel allosteric peptide inhibitors of HIV integrase in the LEDGF binding site
分子名称: ACETIC ACID, CHLORIDE ION, Integrase, ...
著者Peat, T.S, Deadman, J.J, Newman, J, Rhodes, D.I.
登録日2011-03-05
公開日2012-01-18
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Crystal structures of novel allosteric peptide inhibitors of HIV integrase identify new interactions at the LEDGF binding site.
Chembiochem, 12, 2011
3AVM
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BU of 3avm by Molmil
Crystal structures of novel allosteric peptide inhibitors of HIV integrase in the LEDGF binding site
分子名称: ACETIC ACID, CHLORIDE ION, Integrase, ...
著者Peat, T.S, Deadman, J.J, Newman, J, Rhodes, D.I.
登録日2011-03-05
公開日2012-01-18
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Crystal structures of novel allosteric peptide inhibitors of HIV integrase identify new interactions at the LEDGF binding site.
Chembiochem, 12, 2011
3APF
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BU of 3apf by Molmil
Crystal structure of human PI3K-gamma in complex with CH5039699
分子名称: 3-[7-(1H-benzimidazol-5-yl)-2-(morpholin-4-yl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]phenol, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION
著者Nakamura, M, Fukami, T.A, Miyazaki, T, Yoshida, M.
登録日2010-10-14
公開日2011-04-13
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.82 Å)
主引用文献Discovery and biological activity of a novel class I PI3K inhibitor, CH5132799
Bioorg.Med.Chem.Lett., 21, 2011
4QGP
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BU of 4qgp by Molmil
Crystal structure of a pyrophosphatase (AF1178) from Archaeoglobus fulgidus DSM 4304 at 1.80 A resolution
分子名称: CHLORIDE ION, MAGNESIUM ION, SODIUM ION, ...
著者Joint Center for Structural Genomics (JCSG)
登録日2014-05-23
公開日2014-07-02
最終更新日2018-01-24
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Crystal structure of a pyrophosphatase (AF1178) from Archaeoglobus fulgidus DSM 4304 at 1.80 A resolution
To be published
3AS8
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BU of 3as8 by Molmil
MamA MSR-1 P41212
分子名称: Magnetosome protein MamA, SULFATE ION
著者Zeytuni, N, Davidov, G, Zarivach, R.
登録日2010-12-10
公開日2011-07-20
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Self-recognition mechanism of MamA, a magnetosome-associated TPR-containing protein, promotes complex assembly
Proc.Natl.Acad.Sci.USA, 108, 2011
3ASH
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BU of 3ash by Molmil
MamA D159K mutant 1
分子名称: MamA, SULFATE ION
著者Zeytuni, N, Levin, M, Davidov, G, Zarivach, R.
登録日2010-12-11
公開日2011-07-20
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献Self-recognition mechanism of MamA, a magnetosome-associated TPR-containing protein, promotes complex assembly
Proc.Natl.Acad.Sci.USA, 108, 2011
4QHB
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BU of 4qhb by Molmil
Crystal structure of a putative hydrolase (BVU_2763) from Bacteroides vulgatus ATCC 8482 at 2.44 A resolution
分子名称: DI(HYDROXYETHYL)ETHER, SULFATE ION, TETRAETHYLENE GLYCOL, ...
著者Joint Center for Structural Genomics (JCSG)
登録日2014-05-28
公開日2014-06-18
最終更新日2023-02-01
実験手法X-RAY DIFFRACTION (2.44 Å)
主引用文献Crystal structure of a hypothetical protein (BVU_2763) from Bacteroides vulgatus ATCC 8482 at 2.44 A resolution
To be published
3AQI
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BU of 3aqi by Molmil
H240A variant of human ferrochelatase
分子名称: CHOLIC ACID, FE2/S2 (INORGANIC) CLUSTER, Ferrochelatase, ...
著者Lanzilotta, W.N, Medlock, A.E, Dailey, T.A, Dailey, H.A.
登録日2010-11-03
公開日2012-01-25
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献H240A variant of human ferrochelatase
To be published
4QJ0
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BU of 4qj0 by Molmil
Crystal structure of catalytic domain of human carbonic anhydrase isozyme XII with inhibitor
分子名称: 1,2-ETHANEDIOL, 2,3,6-trifluoro-5-{[(1R,2S)-2-hydroxy-1,2-diphenylethyl]amino}-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, Carbonic anhydrase 12, ...
著者Manakova, E, Smirnov, A, Grazulis, S.
登録日2014-06-03
公開日2015-04-15
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Functionalization of Fluorinated Benzenesulfonamides and Their Inhibitory Properties toward Carbonic Anhydrases
Chemmedchem, 10, 2015
3ASU
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BU of 3asu by Molmil
Crystal structure of serine dehydrogenase from Escherichia coli
分子名称: Short-chain dehydrogenase/reductase SDR
著者Yamazawa, R, Nakajima, Y, Yoshimoto, T, Ito, K.
登録日2010-12-21
公開日2011-10-12
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of serine dehydrogenase from Escherichia coli: important role of the C-terminal region for closed-complex formation.
J.Biochem., 149, 2011
3AT0
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BU of 3at0 by Molmil
Structural and biochemical characterization of ClfB:ligand interactions
分子名称: C-terminal alpha chain peptide, Clumping factor B
著者Ganesh, V.K.
登録日2010-12-23
公開日2011-05-04
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural and biochemical characterization of ClfB:ligand interactions
To be published
4QJW
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BU of 4qjw by Molmil
Crystal structure of catalytic domain of human carbonic anhydrase isozyme XII with inhibitor
分子名称: 1,2-ETHANEDIOL, 3-(benzylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, Carbonic anhydrase 12, ...
著者Smirnov, A, Manakova, E, Grazulis, S.
登録日2014-06-05
公開日2015-04-15
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Functionalization of Fluorinated Benzenesulfonamides and Their Inhibitory Properties toward Carbonic Anhydrases
Chemmedchem, 10, 2015
3ATE
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BU of 3ate by Molmil
Crystal Structure of the Kir3.2 Cytoplasmic Domain (Na+-free crystal soaked in 10 mM praseodymium (III) acetate)
分子名称: PRASEODYMIUM ION, Potassium inwardly-rectifying channel, subfamily J, ...
著者Inanobe, A, Kurachi, Y.
登録日2010-12-28
公開日2011-10-19
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Interactions of cations with the cytoplasmic pores of inward rectifier K(+) channels in the closed state
J.Biol.Chem., 286, 2011
4QKA
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BU of 4qka by Molmil
c-di-AMP riboswitch from Thermoanaerobacter pseudethanolicus, iridium hexamine soak
分子名称: (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, C-di-AMP riboswitch, IRIDIUM HEXAMMINE ION, ...
著者Gao, A, Serganov, A.
登録日2014-06-05
公開日2014-08-06
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structural insights into recognition of c-di-AMP by the ydaO riboswitch.
Nat.Chem.Biol., 10, 2014
4QP2
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BU of 4qp2 by Molmil
Crystal Structure of ERKs in complex with 5-chlorobenzo[d]oxazol-2-amine
分子名称: 5-chloro-1,3-benzoxazol-2-amine, IMIDAZOLE, Mitogen-activated protein kinase 1
著者Yin, J, Wang, W.
登録日2014-06-22
公開日2015-09-23
最終更新日2015-12-16
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Fragment-based discovery of potent ERK2 pyrrolopyrazine inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
3AV6
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BU of 3av6 by Molmil
Crystal structure of mouse DNA methyltransferase 1 with AdoMet
分子名称: DNA (cytosine-5)-methyltransferase 1, S-ADENOSYLMETHIONINE, ZINC ION
著者Takeshita, K, Suetake, I, Yamashita, E, Suga, M, Narita, H, Nakagawa, A, Tajima, S.
登録日2011-02-22
公開日2011-05-04
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (3.09 Å)
主引用文献Structural insight into maintenance methylation by mouse DNA methyltransferase 1 (Dnmt1).
Proc.Natl.Acad.Sci.USA, 108, 2011
3ARP
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BU of 3arp by Molmil
Crystal Structure Analysis of Chitinase A from Vibrio harveyi with novel inhibitors - complex structure with DEQUALINIUM
分子名称: Chitinase A, DEQUALINIUM, GLYCEROL
著者Pantoom, S, Vetter, I.R, Prinz, H, Suginta, W.
登録日2010-12-09
公開日2011-04-20
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Potent family-18 chitinase inhibitors: x-ray structures, affinities, and binding mechanisms
J.Biol.Chem., 286, 2011
3AS1
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BU of 3as1 by Molmil
Crystal Structure Analysis of Chitinase A from Vibrio harveyi with novel inhibitors - W275G mutant complex structure with chelerythrine
分子名称: 1,2-dimethoxy-12-methyl[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium, Chitinase A, GLYCEROL
著者Pantoom, S, Vetter, I.R, Prinz, H, Suginta, W.
登録日2010-12-09
公開日2011-04-20
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Potent family-18 chitinase inhibitors: x-ray structures, affinities, and binding mechanisms
J.Biol.Chem., 286, 2011
4QIZ
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BU of 4qiz by Molmil
Crystal structure of human carbonic anhydrase isozyme XIII with inhibitor
分子名称: 1,2-ETHANEDIOL, 2,3,6-trifluoro-5-{[(1R,2S)-2-hydroxy-1,2-diphenylethyl]amino}-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, Carbonic anhydrase 13, ...
著者Manakova, E, Smirnov, A, Grazulis, S.
登録日2014-06-03
公開日2015-04-15
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Functionalization of Fluorinated Benzenesulfonamides and Their Inhibitory Properties toward Carbonic Anhydrases
Chemmedchem, 10, 2015
3ASV
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BU of 3asv by Molmil
The Closed form of serine dehydrogenase complexed with NADP+
分子名称: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PHOSPHATE ION, Short-chain dehydrogenase/reductase SDR
著者Yamazawa, R, Nakajima, Y, Yoshimoto, T, Ito, K.
登録日2010-12-21
公開日2011-10-12
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structure of serine dehydrogenase from Escherichia coli: important role of the C-terminal region for closed-complex formation.
J.Biochem., 149, 2011
3ATS
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BU of 3ats by Molmil
Crystal structure of Rv3168
分子名称: CALCIUM ION, GLYCEROL, MAGNESIUM ION, ...
著者Kim, Y.-G, Kim, S, Nguyen, C.M.T, Kim, K.-J.
登録日2011-01-13
公開日2011-08-03
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Crystal structure of Mycobacterium tuberculosis Rv3168: a putative aminoglycoside antibiotics resistance enzyme
Proteins, 79, 2011
3ARW
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BU of 3arw by Molmil
Crystal Structure Analysis of Chitinase A from Vibrio harveyi with novel inhibitors - complex structure with chelerythrine
分子名称: 1,2-dimethoxy-12-methyl[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium, Chitinase A, GLYCEROL
著者Pantoom, S, Vetter, I.R, Prinz, H, Suginta, W.
登録日2010-12-09
公開日2011-04-20
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Potent family-18 chitinase inhibitors: x-ray structures, affinities, and binding mechanisms
J.Biol.Chem., 286, 2011
3ASG
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BU of 3asg by Molmil
MamA D159K mutant 2
分子名称: MamA
著者Zeytuni, N, Levin, M, Davidov, G, Zarivach, R.
登録日2010-12-11
公開日2011-07-20
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献Self-recognition mechanism of MamA, a magnetosome-associated TPR-containing protein, promotes complex assembly
Proc.Natl.Acad.Sci.USA, 108, 2011
3AV5
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BU of 3av5 by Molmil
Crystal structure of mouse DNA methyltransferase 1 with AdoHcy
分子名称: DNA (cytosine-5)-methyltransferase 1, S-ADENOSYL-L-HOMOCYSTEINE, ZINC ION
著者Takeshita, K, Suetake, I, Yamashita, E, Suga, M, Narita, H, Nakagawa, A, Tajima, S.
登録日2011-02-22
公開日2011-05-04
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (3.25 Å)
主引用文献Structural insight into maintenance methylation by mouse DNA methyltransferase 1 (Dnmt1).
Proc.Natl.Acad.Sci.USA, 108, 2011
4QP8
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BU of 4qp8 by Molmil
Crystal Structure of ERK2 in complex with 2-(1H-pyrazol-4-yl)-7-(pyridin-3-yl)-5H-pyrrolo[2,3-b]pyrazine
分子名称: 2-(1H-pyrazol-4-yl)-7-(pyridin-3-yl)-5H-pyrrolo[2,3-b]pyrazine, Mitogen-activated protein kinase 1
著者Yin, J, Wang, W.
登録日2014-06-22
公開日2015-09-23
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.446 Å)
主引用文献Fragment-based discovery of potent ERK2 pyrrolopyrazine inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015

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